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Sugi Predict / Compounds / SCHEMBL4158917

SCHEMBL4158917

SCHEMBL4158917

CN(C)S(=O)(=O)c1cn(Cc2ccc(F)cc2)c2cnc(C(=O)NO)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ HDAC1 Q13547 5/20 0.38
▸ HDAC6 Q9UBN7 5/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1684265 0.87 RXFP1 (0.41) LMNAKCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL4166990 0.82 HDAC1 (0.41) LMNASMN1; SMN2MMP13MEN1KMT2A
SCHEMBL4173800 0.81 SMN1; SMN2 (0.40) LMNASMN1; SMN2MMP13MEN1KMT2A
SCHEMBL14542133 0.81 MMP13 (0.44) MMP13MEN1KMT2AMAOBHDAC1
SCHEMBL1684129 0.79 POLB (0.42) MMP13MEN1KMT2AMAOBHDAC1
SCHEMBL4162951 0.77 SMN1; SMN2 (0.42) LMNASMN1; SMN2MEN1KMT2AMAOB
SCHEMBL4161028 0.77 MEN1 (0.42) MMP13MEN1KMT2AALDH1A1HDAC1
SCHEMBL1684250 0.76 KMT2A (0.42) MMP13KMT2AALDH1A1HDAC1HDAC6
SCHEMBL4156728 0.74 GRM4 (0.39) LMNASMN1; SMN2AXLPOLBMAPT
SCHEMBL14541884 0.74 GRM4 (0.38) LMNASMN1; SMN2MMP13ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 — — US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 — — EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 — — WO claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 — — US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 — — US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 — — US disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 — — EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 — — WO disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP LMNA 3075/4885KCNJ6 2770/4885KCNJ5 2653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.